3-(2,4,6-trimethylphenyl)sulfanylpropanoate

Systemtic Name: 3-(2,4,6-trimethylphenyl)sulfanylpropanoate Openeye Name: 3-(2,4,6-trimethylphenyl)sulfanylpropanoate CAS Name: 3-[(2,4,6-trimethylphenyl)thio]propanoate IUPAC Name: 3-(2,4,6-trimethylphenyl)sulfanylpropanoate Traditional Name: 3-(mesitylthio)propionate Formula: C12H15O2S- MolecularWeight: 223.3113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCCC(=O)[O-])C

InChI

InChI=1S/C12H16O2S/c1-8-6-9(2)12(10(3)7-8)15-5-4-11(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/p-1